Basic information
- CAS
13100-46-4- Standard SMILES
CC(=O)O[C@@H]1O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
FEQXFAYSNRWXDW-RKQHYHRCSA-N- Molecular formula
- C14H20O10
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.10564683
Names & identifiers
- Preferred name
- beta-D-Glucopyranose, 1,2,3,4-tetraacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
- English name
- 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranose
- Molecular formula
- C14H20O10
- Molecular weight
- 348.3
Names & synonyms
13100-46-4beta-D-Glucopyranose, 1,2,3,4-tetraacetate1,2,3,4-Tetra-O-acetylglucopyranose4AcOGlcRefChem:71287236-018-21,2,3,4-Tetra-O-acetyl-beta-D-glucopyranosebeta-D-Glucose 1,2,3,4-tetraacetateMFCD00063260beta-d-glucose-2,3,4,5-tetraacetateEINECS 236-018-2AI3-19572
Show more names
1,2,3,4-Tetra-O-acetyl-beta-D-?D-Glucose-2,3,4,5-tetraacetate1,2,3,4-Tetra-O-acetyl-β-D-glucoseβ-D-Glucopyranose 1,2,3,4-tetraacetateβ-D-Glucopyranose, 1,2,3,4-tetraacetate1,2,3,4-TETRAACETYL-BETA-D-GLUCOPYRANOSE1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose
(2S,3R,4S,5R,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetateFS-50881,2,3,4-tetra-O-acetyl--d-glucopyranose1,2,3,4-Tetra-O-acetyl-ss-D-glucopyranose1,2,3,4-Tetra-O-acetyl-|A-D-glucopyranose1,2,3,4-Tetra-O-acetyl-b-D-glucopyranose|A-d-glucopyranose, 1,2,3,4-tetraacetateB-D-GL
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Melting point
- 126 · 126-128 °C(lit.)
- Boiling point
- 0.12 °C · 0.120 °C(Press: 0.0001 Torr)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in chloroform
- pka
- 14.48 · 14.48±0.10(Predicted)
- form
- Powder
- color
- White to Off-white
- optical activity
- 20 · [α]20/D +11°, c = 6 in chloroform
- InChI
- InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/s3
- InChIKey
- FEQXFAYSNRWXDW-JOAVLQHANA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](CO)O[C@@H](OC(=O)C)[C@@H]1OC(=O)C)OC(=O)C)C(=O)C |&1:1,2,3,7,12,r|
- LogP
- 1.14 · 1.140 (est)
- CAS DataBase Reference
- 13100 · 13100-46-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose has been used in the study of substrates for inositol synthase, and for the preparation of anionic surfactants.
Upstream & downstream products
Downstream products
Suppliers86 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
临沂锎源化学科技有限公司13188735557 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Related reactions
2 records
Compound notes
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